Hi, Guangping In general, polarizability is weighted average of dielectric function over the whole object under study. I'm not familiar with SIESTA per se, but I don't think dielectric function is a simple data structure to easily store and output, so I guess probably you are right about the Systemlabel.EPSIMG.
Best regards, Pu Zhang -- Postdoc The group of Structured Electromagnetic Materials Department of Photonics Engineering Technical University of Denmark Ørsteds Plads, Building 345v, 166 2800, Kgs. Lyngby E-mail: [email protected] Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0 Phone: 45 25 36 43 Fax: 45 93 65 81 On Wed, Mar 26, 2014 at 3:00 PM, zgp121 <[email protected]> wrote: > Dear all, > > Can anyone tell me the relationship between the dielectric function and > the polarizability for the molecular system in SIESTA code? > > I think the data stored in Systemlabel.EPSIMG is the frequency-dependent > polarizability not dielectric function. Or can someone give some formula > used in SIETA optical calculation. I can not find the explicit documented > relationship between the dielectric function and polarizability in SIESTA. > > > Thanks in advance. > > Guangping > > 2014-03-26 > ------------------------------ >
