Hi. , at the present is possible to calculate with a very high level of precision the dielectric function by ab initio calculations. In siesta I presume this part in underdevelopement, otherwise you can use other codes, like Abinit, Espresso, Vasp, Yambo, DP code. Exicting, Elk. ADF, AIMS, Octopus, Berkeley-GW, and maybe even more if u look into the chemists's codes.
So I think there is an open wide branch of code able to do that. most of them are in planewave to be precise. cheeers federico iori. > 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 > ************************************************ > -- Dr. Federico Iori, PhD! Dipartimento di Scienze e Metodi per l' Ingegneria (DISMI) Universita' di Modena e Reggio Emilia Via Amendola,2 Pad. Morselli 42122 Reggio Emilia (Italy)
