I am not an expert, but in my humble opinion there is no way (up to today) to calculate ab-initio the dielectic constant of a material. Please any other physicist expert in this area correct me if I am wrong.
2012/12/8 郭振东 <[email protected]> > Dear Siesta User > Can we use SIESTA to calculate the dielectric constant of the material > such as BN ? > Best regards > Zhendong > > > -- ************************************************ Dr. Sergio Ferrari Depto. de Física-Fac. de Ingeniería INTECIN (UBA-CONICET) Av. Paseo Colón 850 C1063ACV-Ciudad de Buenos Aires ARGENTINA Tel: +54 (11) 4342-1396 (Directo) 4342-9184/4343-0891/4343-2775 (Int. 244/232) http://intecin.fi.uba.ar ************************************************
